3-methyl-N-[[4-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[4-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-(3-anilino-3-oxo-propyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(3-anilino-3-oxopropyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[(3-anilino-3-keto-propyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15-7-6-8-16(13-15)20(28)22-14-18-24-25-21(26(18)2)29-12-11-19(27)23-17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,22,28)(H,23,27)